(4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine

C17H26BrN — CID 107177827

IUPAC(4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCc1cc(C(N)C2CCCCC2(C)C)c(C)cc1Br
InChIInChI=1S/C17H26BrN/c1-11-10-15(18)12(2)9-13(11)16(19)14-7-5-6-8-17(14,3)4/h9-10,14,16H,5-8,19H2,1-4H3
InChIKeyFSPZMMRTPCRRLN-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.28
Rot. Bonds2

About (4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine

(4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine (PubChem CID 107177827) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine
PubChem CID107177827
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name(4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCc1cc(C(N)C2CCCCC2(C)C)c(C)cc1Br
InChIInChI=1S/C17H26BrN/c1-11-10-15(18)12(2)9-13(11)16(19)14-7-5-6-8-17(14,3)4/h9-10,14,16H,5-8,19H2,1-4H3
InChIKeyFSPZMMRTPCRRLN-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 107189233
1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene
CID 107182405
(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177622
(4-bromo-3-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191802
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107182571
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107178296
(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191459
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 107182324
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191008
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190
(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107178150
2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107188309

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The IUPAC name of (4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine (CID 107177827) is (4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The canonical SMILES for (4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine is Cc1cc(C(N)C2CCCCC2(C)C)c(C)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The InChIKey is FSPZMMRTPCRRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-11-10-15(18)12(2)9-13(11)16(19)14-7-5-6-8-17(14,3)4/h9-10,14,16H,5-8,19H2,1-4H3.
What are the key properties of (4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine?
(4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine has a molecular weight of 324.31 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 107177827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).